SCHEMBL13054547

SCHEMBL13054547

O=c1[nH][nH]c2cc(Nc3cc(Nc4n[nH]c5ccccc45)c4ccccc4n3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 4/20 0.43
FADS1 O60427 2/20 0.41
TRPA1 O75762 1/20 0.41
SLC2A1 P11166 1/20 0.40
AURKA O14965 1/20 0.38
CYP1A2 P05177 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EGFR P00533 2/20 0.36
ALOX5 P09917 1/20 0.36
ULK1 O75385 3/20 0.36
MAPK10 P53779 1/20 0.36
MAPK14 Q16539 1/20 0.36
BRAF P15056 1/20 0.34
ADRA2A P08913 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13054543 0.84 FADS1 (0.48) GRM4FADS1TRPA1AURKACYP1A2
SCHEMBL13054537 0.83 FADS1 (0.46) GRM4FADS1TRPA1AURKACYP1A2
SCHEMBL13054899 0.83 GSK3B (0.54) SLC2A1AURKAMEN1MAPTRAB9A
SCHEMBL3760902 0.82 GRM4 (0.46) GRM4FADS1TRPA1AURKAULK1
SCHEMBL12510675 0.81 TRPA1 (0.49) GRM4FADS1TRPA1SLC2A1AURKA
SCHEMBL13054538 0.80 GRM4 (0.47) GRM4FADS1TRPA1CYP1A2ALOX5
SCHEMBL13925100 0.80 ULK1 (0.48) ULK1
SCHEMBL12431079 0.78 KDM1A (0.51) GRM4TRPA1SLC2A1AURKACYP1A2
SCHEMBL13054919 0.78 MEN1 (0.37) GRM4FADS1AURKAMEN1KMT2A
SCHEMBL13054881 0.78 CNR1 (0.39) GRM4FADS1TRPA1AURKAALOX5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842712-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 US disclosed
US-7842712-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 US disclosed
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 US disclosed
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 US disclosed
US-7262200-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-28 US disclosed
US-7262200-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS LCK, CDK2, MKNK2 GRM4 4697/4885FADS1 3226/4885TRPA1 4223/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.